3-[4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenyl]propanoic acid dihydrochloride

Systemtic Name: 3-[4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenyl]propanoic acid dihydrochloride Openeye Name: 3-[4-[4-[2-(4-piperidyl)ethyl]piperazin-1-yl]phenyl]propanoic acid dihydrochloride CAS Name: 3-[4-[4-[2-(4-piperidinyl)ethyl]-1-piperazinyl]phenyl]propanoic acid dihydrochloride IUPAC Name: 3-[4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenyl]propanoic acid dihydrochloride Traditional Name: 3-[4-[4-[2-(4-piperidyl)ethyl]piperazino]phenyl]propionic acid dihydrochloride Formula: C20H33Cl2N3O2 MolecularWeight: 418.40092

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCN2CCN(CC2)C3=CC=C(C=C3)CCC(=O)O.Cl.Cl

Isomeric SMILES

C1CNCCC1CCN2CCN(CC2)C3=CC=C(C=C3)CCC(=O)O.Cl.Cl

InChI

InChI=1S/C20H31N3O2.2ClH/c24-20(25)6-3-17-1-4-19(5-2-17)23-15-13-22(14-16-23)12-9-18-7-10-21-11-8-18;;/h1-2,4-5,18,21H,3,6-16H2,(H,24,25);2*1H